Kipke C A, Cleland W E, Roberts S A, Enemark J H
Department of Chemistry, University of Arizona, Tucson 85721.
Acta Crystallogr C. 1989 Jun 15;45 ( Pt 6):870-2. doi: 10.1107/s0108270188014106.
C27H32BMoN6O3, Mr = 595.34, monoclinic, P2(1)/n, a = 16.376 (6), b = 10.438 (5), c = 17.016 (8) A, beta = 107.25 (3) degrees, V = 2777.8 A3, Z = 4, Dm = 1.37, Dx = 1.43 g cm-3, Mo K alpha,lambda = 0.71073 A, mu = 5.02 cm-1, F(000) = 1228, T = 296 K, R = 0.038, wR = 0.045 for 2457 reflections. This molecule is the first structurally characterized mononuclear molybdenum complex containing a terminal aryl oxide ligand. The central molybdenum atom adopts a distorted octahedral coordination geometry with one face of the octahedron occupied by the tridentate pyrazolylborate ligand and the opposite face by the oxo and the two phenolato ligands. The structure is compared with that of the analogous benzenethiolate complex.
C27H32BMoN6O3，Mr = 595.34，单斜晶系，P2(1)/n，a = 16.376 (6)，b = 10.438 (5)，c = 17.016 (8) Å，β = 107.25 (3)°，V = 2777.8 Å3，Z = 4，Dm = 1.37，Dx = 1.43 g cm-3，Mo Kα，λ = 0.71073 Å，μ = 5.02 cm-1，F(000) = 1228，T = 296 K，对于2457个反射，R = 0.038，wR = 0.045。该分子是首个结构表征的含末端芳氧基配体的单核钼配合物。中心钼原子采用扭曲的八面体配位几何构型，八面体的一个面被三齿吡唑硼酸酯配体占据，相对的面被氧代和两个酚盐配体占据。将该结构与类似的苯硫酚盐配合物的结构进行了比较。
